Tunable Core Size of Carbon Nanoscrolls
We study the equilibrium core radius of a carbon nanoscroll (CNS) formed from spontaneous rolling of a graphene sheet. By a balance between the elastic bending energy and the van der Waals interaction energy in the system, we derive an analytical relation between the surface energy, the bending stiffness, the interlayer spacing, the length of a graphene sheet and the core radius of the resulting CNS. This relation is then quantitatively verified by molecular dynamics simulations. Our work immediately suggests that the core size of a CNS can be actively controlled for applications such as tunable water and ion channels, molecular sensors, as well as flexible gene and drug delivery systems.
Keywords: CARBON NANOSCROLLS; CORE SIZE; MOLECULAR DYNAMICS
Document Type: Research Article
Publication date: 01 March 2010
- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
- Editorial Board
- Information for Authors
- Submit a Paper
- Subscribe to this Title
- Terms & Conditions
- Ingenta Connect is not responsible for the content or availability of external websites
- Access Key
- Free content
- Partial Free content
- New content
- Open access content
- Partial Open access content
- Subscribed content
- Partial Subscribed content
- Free trial content